REMARK  Name = BDB050179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.050   2.135   0.238  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        3.874   1.143   0.771  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        3.444  -0.171   0.609  0.00  0.00    +0.135 A 
ATOM      4  C   LIG    1        2.268  -0.538  -0.036  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        2.231  -1.960   0.030  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        3.365  -2.353   0.701  0.00  0.00    +0.196 A 
ATOM      7  C   LIG    1        1.433   0.470  -0.574  0.00  0.00    -0.036 A 
ATOM      8  O   LIG    1        4.107  -1.273   1.056  0.00  0.00    -0.463 OA
ATOM      9  C   LIG    1        1.859   1.808  -0.419  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        0.132   0.176  -1.285  0.00  0.00    +0.040 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -1.027  -0.172  -0.331  0.00  0.00    +0.007 C 
ATOM     12  C   LIG    1       -1.466   1.040   0.510  0.00  0.00    +0.084 C 
ATOM     13  N   LIG    1       -2.613   0.733   1.371  0.00  0.00    -0.316 NA
ATOM     14  H   LIG    1       -2.344  -0.003   2.025  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -3.760   0.279   0.586  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1       -3.424  -0.960  -0.237  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -2.220  -0.710  -1.140  0.00  0.00    +0.006 C 
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 2